Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6781708703
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 65 USD | 98 | 22 working days | Get Quote |
| 5 mg | 65 USD | 98 | 22 working days | Get Quote |
| 10 mg | 81 USD | 98 | 20 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-6781708703.sdf |
| SMILES | MCULE-6781708703.smiles |
| Standard InChI | MCULE-6781708703.inchi |
| InChIKey | MCULE-6781708703.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867689120 | 98 | As is | in stock |
| P-875867649 | 95 | As is | in stock |
| P-874650398 | 98 | As is | by resynthesis (? - ? days) |
| P-903338728 | 98 | As is | 1.25 g |
| P-1264056026 | 99 | As is | in stock |
| P-893527450 | 90 | As is | 31.689 g |
| P-1270340910 | 98 | As is | in stock |
| P-865935266 | 98 | As is | 1000 mg |
| P-1273454655 | 95 | As is | by resynthesis (? - ? days) |
| P-889779759 | 95 | As is | in stock |
| P-868545603 | 98 | As is | in stock |
| P-861286899 | 98 | As is | in stock |
| P-887183404 | 95 | As is | by synthesis |
| P-900267175 | 95 | As is | in stock |
| P-901410175 | 98 | As is | 1.25 g |
| P-873250310 | 97 | As is | 5 mg |
| P-854721532 | 95 | As is | in stock |
| P-888172804 | 98 | As is | by synthesis |
| P-892299726 | 95 | As is | unavailable |
| P-869163533 | 95 | As is | 87 mg |
| P-888658879 | 95 | As is | 87 mg |
| P-1271677426 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 527.541 |
| logP | 3.9876 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 80.45 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 147.9257 |
| Atoms | 66 |
| Rings | 5 |
| Heavy atoms | 38 |
| Hydrogen atoms | 28 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
